3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide

C19H25N3O — CID 46427586

IUPAC3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C19H25N3O/c23-19(12-11-16-7-2-1-3-8-16)21-18-10-5-4-9-17(18)15-22-14-6-13-20-22/h4-6,9-10,13-14,16H,1-3,7-8,11-12,15H2,(H,21,23)
InChIKeyNJEJCDFIGMVYFK-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.23
Rot. Bonds6

About 3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide

3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 46427586) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID46427586
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C19H25N3O/c23-19(12-11-16-7-2-1-3-8-16)21-18-10-5-4-9-17(18)15-22-14-6-13-20-22/h4-6,9-10,13-14,16H,1-3,7-8,11-12,15H2,(H,21,23)
InChIKeyNJEJCDFIGMVYFK-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55934321
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3-cyclopentyl-N-[2-(hydroxymethyl)phenyl]propanamide
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3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
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3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid
CID 107272399
2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79843343
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline
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3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43068767
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CID 60852301

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 46427586) is 3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(CCC1CCCCC1)Nc1ccccc1Cn1cccn1.
What is the InChIKey of 3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is NJEJCDFIGMVYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-19(12-11-16-7-2-1-3-8-16)21-18-10-5-4-9-17(18)15-22-14-6-13-20-22/h4-6,9-10,13-14,16H,1-3,7-8,11-12,15H2,(H,21,23).
What are the key properties of 3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 46427586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).